Surface Structure Determination by Microscopic Low-Energy Electron Diffraction Theory.

A derivation and discussion of the state of the art LEED techniques are given. Of these, the appropriate techniques were used to obtain surface structure results for the Al(001)-c(2x2)Na overlayer system and the irrationally related Ag(111)-Xe overlayer system. The d-spacing, preferred binding site, and the bond length were found for the Al-Na system. New techniques were developed to enable full dynamical LEED methods to be used on overlayer systems with incommensurate lattices. Results of the first successful structural determination for this type of system by using full dynamical LEED methods were studied. The d-spacing for Ag(111)-Se was determined to be 3.5 + or - .1 A. Temperature studies were done on the Al(001) and Ni(001) crystal planes. New techniques were developed to study the layer dependent amplitudes of vibration of the atoms in the planes.